Organometalic compound [MnCp(CO)3] occluded in zeolite Y

Author(s)

Ricardo Forner

• Document type: Doctoral Thesis
• Press: Campinas, SP.
• Institution: Universidade Estadual de Campinas (UNICAMP). Instituto de Química
• Defense date: 2008-12-16

Examining board members

Gilson Herbert Magalhães Dias; Antonio Eduardo Mauro; Yoshio Kawano; Claudio Airoldi; Oswaldo Luiz Alves

• Advisor: Gilson Herbert Magalhães Dias

Abstract

This thesis aimed to study the steric and electronic effects of faujasita zeolites HY, LiY, NaY and CsY on the structure, reactivity and thermal behavior of [MnCp(CO)3] organometallic compound occluded. Various alkaline forms of zeolite Y were prepared by ion exchange in the zeolite Na56Y. Study of the interactions, the thermal behavior and reactivity of the organometallic compound occluded in zeolites were done using FTIR spectroscopy in a system especially constructed for this purpose. The FTIR spectra of [MnCp(CO)3] compound adsorbed in zeolites displays at least 5 bands that were attributed to different anchoring sites located on the surface and in the supercages. The decomposition of the occluded guest was faster in the anchoring sites where the interactions cation-carbonyl were weaker. The occluded organometallic spectra in partially hydrated zeolites have showed the same strength for carbonyl-cation and water-cation interactions. The computational calculations, that have simulated the interactions of the organometallic with zeólito, provided information on interaction energy, lengths and angles of bonds. The simulated spectra have showed carbonyl stretching bands in similar way to experimental spectra (AU)